@<TRIPOS>MOLECULE
BindingDB_17446
 55 57 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.2077   32.3897   24.9273  C     
2    Cl       15.4613   31.7107   26.5391  Cl    
3    C        15.2989   31.4494   23.8252  C     
4    O        15.6953   31.8949   22.7497  O     
5    N        14.9390   30.1768   23.9516  N     
6    C        14.9889   29.1960   23.0191  C     
7    O        14.4641   28.0071   23.3926  O     
8    O        15.5467   29.3274   21.7827  O     
9    C        15.5613   28.3440   20.7316  C     
10   C        16.8898   27.5395   20.7274  C     
11   C        18.0982   28.3793   20.2608  C     
12   C        15.2567   29.0231   19.3633  C     
13   O        14.1342   29.9324   19.4510  O     
14   C        12.8930   29.4321   19.9742  C     
15   C        16.1491   30.4179   17.3728  C     
16   O        15.0602   31.3648   17.3869  O     
17   C        16.1670   29.4972   16.1184  C     
18   C        16.3614   31.9253   17.1482  C     
19   C        16.4659   29.8404   18.7948  C     
20   C        16.4636   32.6058   15.7625  C     
21   C        17.7577   32.3252   15.1555  C     
22   C        18.8161   33.1641   15.0510  C     
23   C        20.0380   32.6525   14.4209  C     
24   C        18.7741   34.5370   15.5534  C     
25   C        17.7895   29.0174   18.8855  C     
26   C        18.9613   29.2347   17.9346  C     
27   O        18.0543   28.1293   17.7856  O     
28   H        14.2194   32.8592   24.9149  H     
29   H        15.9556   33.1761   24.7958  H     
30   H        14.5779   29.9125   24.8187  H     
31   H        14.7613   27.6119   20.9149  H     
32   H        17.0793   27.1470   21.7314  H     
33   H        16.7776   26.6831   20.0538  H     
34   H        18.2976   29.1740   20.9876  H     
35   H        18.9831   27.7363   20.2182  H     
36   H        15.0166   28.2221   18.6575  H     
37   H        12.1320   30.1931   19.7999  H     
38   H        12.9619   29.2555   21.0473  H     
39   H        12.5867   28.5127   19.4679  H     
40   H        16.1482   28.4402   16.3987  H     
41   H        17.0830   29.6754   15.5447  H     
42   H        15.3021   29.6935   15.4799  H     
43   H        16.7139   32.5040   18.0047  H     
44   H        16.6090   30.6827   19.4818  H     
45   H        15.6761   32.2473   15.0917  H     
46   H        16.2939   33.6770   15.8919  H     
47   H        17.8725   31.3929   14.8158  H     
48   H        20.4058   31.7796   14.9705  H     
49   H        20.8477   33.3859   14.3932  H     
50   H        19.8298   32.3509   13.3890  H     
51   H        18.0141   35.1012   15.0139  H     
52   H        19.7236   35.0610   15.4333  H     
53   H        18.5306   34.5303   16.6159  H     
54   H        18.8708   29.9654   17.1361  H     
55   H        19.9549   28.9181   18.2487  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    3    4 2
     4    3    5 am
     5    5    6 am
     6    6    7 2
     7    6    8 1
     8    9    8 1
     9    9   10 1
    10    9   12 1
    11   10   11 1
    12   11   25 1
    13   12   13 1
    14   12   19 1
    15   13   14 1
    16   15   16 1
    17   15   17 1
    18   15   18 1
    19   15   19 1
    20   16   18 1
    21   18   20 1
    22   19   25 1
    23   20   21 1
    24   21   22 2
    25   22   23 1
    26   22   24 1
    27   25   26 1
    28   25   27 1
    29   26   27 1
    30    1   28 1
    31    1   29 1
    32    5   30 1
    33    9   31 1
    34   10   32 1
    35   10   33 1
    36   11   34 1
    37   11   35 1
    38   12   36 1
    39   14   37 1
    40   14   38 1
    41   14   39 1
    42   17   40 1
    43   17   41 1
    44   17   42 1
    45   18   43 1
    46   19   44 1
    47   20   45 1
    48   20   46 1
    49   21   47 1
    50   23   48 1
    51   23   49 1
    52   23   50 1
    53   24   51 1
    54   24   52 1
    55   24   53 1
    56   26   54 1
    57   26   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.2442
  Crash		| -1.5649
  Polar		| 1.0875
  FragIndex	| 1
  FragRMSD	| 0.815